ChemSpider 2D Image | N-tetracosanoylsphinganine | C42H85NO3

N-tetracosanoylsphinganine

  • Molecular FormulaC42H85NO3
  • Average mass652.129 Da
  • Monoisotopic mass651.652954 Da
  • ChemSpider ID4446690

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

6063-36-1 [RN]
C24 dihydro Ceramide (d18:0/24:0)
N-[(2S,3R)-1,3-Dihydroxy-2-octadecanyl]tetracosanamid [German] [ACD/IUPAC Name]
N-[(2S,3R)-1,3-Dihydroxy-2-octadecanyl]tetracosanamide [ACD/IUPAC Name]
N-[(2S,3R)-1,3-Dihydroxy-2-octadécanyl]tétracosanamide [French] [ACD/IUPAC Name]
N-tetracosanoylsphinganine
Tetracosanamide, N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)heptadecyl]- [ACD/Index Name]
(2S, 3R)-2-LIGNOCEROYLAMINOOCTADECANE-1,3-DIOL
N-(tetracosanoyl)-sphinganine
N-tetracosanoylsphinganine
More...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1730295 [DBID]
LMSP02020012 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 0.9±0.1 g/cm3
Boiling Point: 750.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.7 mmHg at 25°C
Enthalpy of Vaporization: 124.8±6.0 kJ/mol
Flash Point: 407.6±30.1 °C
Index of Refraction: 1.474
Molar Refractivity: 203.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 39
#Rule of 5 Violations: 2
ACD/LogP: 17.72
ACD/LogD (pH 5.5): 16.13
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 16.13
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 70 Å2
Polarizability: 80.6±0.5 10-24cm3
Surface Tension: 35.4±3.0 dyne/cm
Molar Volume: 723.5±3.0 cm3

Click to predict properties on the Chemicalize site


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